CID 638639

15533-68-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1CN(C(=O)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14)

InChIKey

IYBINJWRHRKLTJ-UHFFFAOYSA-N

Compound name

1-phenyl-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 40
Patents: 190.07423 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.08151	141.3
[M+Na]+	213.06345	154.2
[M+NH4]+	208.10805	148.7
[M+K]+	229.03739	148.0
[M-H]-	189.06695	143.3
[M+Na-2H]-	211.04890	148.2
[M]+	190.07368	143.5
[M]-	190.07478	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe